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ScientificNameLabel
3,4-Octadienal
PHCD compound ID : 842
Chemical Names :
3,4-Octadienal , 2(E),4(E)-Octadienal
Molecular Formula : C8H12O1
Molecular Weight : 124.088815
More Details :
Names & Synonyms: (2E,4E)-octa-2,4-dienal
Smiles: CCC/C=C/C=C/C=O
InChi : InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h4-8H,2-3H2,1H3/b5-4+,7-6+
InChi Key : InChIKey=DVVATNQISMINCX-YTXTXJHMSA-N
PubChem ID : 5283329
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.658840
Hydrogen bond donor count : 0 Electric dipole moment : 4.817
XLogP : 2.544 VDW volume : 147.805186
Molecular weight : 124.088815 HOMO-LUMO gap : 8.878000
Herb list :
Refrences & Litretures:
  
65.      Journal:'Middle-East J. Sci. Res'      Year:'2014'      Volume:'21'      Page:'1670'      DOI:''      Title:'Chemical Composition, Antioxidant and Antitumor Activity of Thymus vulgaris L. Essential Oil'
444.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1993'      Volume:'8'      Page:'209'      DOI:'10.1002/ffj.2730080408'      Title:'The Essential Oil of Rhus coriaria L. Fruits'
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